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Raymond D. Mountain, Joseph B. Hubbard, Curtis W. Meuse, V Simmons
Abstract
The results of a series of molecular dynamics simulations of monolayer films formed by tethered, long chain molecules (octadecanthiol) are discussed. The emphasis is on the structure of the chains. The density profiles, the distribution of gauche defects along the chains, and two orientation measures are described. Where possible, the connections with experimental probes of such films are mentioned.
long chain molecules, molecular dynamics, monolayer films
Citation
Mountain, R.
, Hubbard, J.
, Meuse, C.
and Simmons, V.
(2000),
Molecular Dynamics Study of Tethered Chains, NIST Interagency/Internal Report (NISTIR), National Institute of Standards and Technology, Gaithersburg, MD
(Accessed October 1, 2025)